Ethyl 3,5-Diamino-4-pyrazolecarboxylate - CAS 6825-71-4
Catalog: |
BB033504 |
Product Name: |
Ethyl 3,5-Diamino-4-pyrazolecarboxylate |
CAS: |
6825-71-4 |
Synonyms: |
3,5-diamino-1H-pyrazole-4-carboxylic acid ethyl ester; ethyl 3,5-diamino-1H-pyrazole-4-carboxylate |
IUPAC Name: | ethyl 3,5-diamino-1H-pyrazole-4-carboxylate |
Description: | Ethyl 3,5-Diamino-4-pyrazolecarboxylate (CAS# 6825-71-4) is a useful research chemical compound. |
Molecular Weight: | 170.17 |
Molecular Formula: | C6H10N4O2 |
Canonical SMILES: | CCOC(=O)C1=C(NN=C1N)N |
InChI: | InChI=1S/C6H10N4O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H5,7,8,9,10) |
InChI Key: | HRAWNPOJGRIJSB-UHFFFAOYSA-N |
MDL: | MFCD04070845 |
LogP: | 0.91320 |
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Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.08037557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 107 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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Amines and Anilines
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